Name: methyl (4′-{1-ethyl-1-[4-((E)-3-ethyl-3-hydroxy-1-pentenyl)-3-methyl-phenyl]-propyl}-3-fluoro-2′-methyl-biphenyl-4-yl)acetate
SMILES:
CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)OC)c(F)c3)c(C)c2)cc1C)CCMolecular Processing
Molecular formula
C35H43FO3
Molecular weight
530.72
Exact mass
530.3196
XLogP
8.5
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
159.4
Supplementary Information
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